I am working in VCD spectroscopy in liquid phase but there is inconsistency in sign for only one particular VCD band. All other bands are consistent in sign. What could be the possible reason for this?
Hello Anwesha,
Your question provides little details, making it difficult to say anything with certainty. However, there can be several explanations for it. For example, the band in question could be an artifact of the spectrometer or It could be an impurity in your sample, among several other possible explanations. The best option for you investigate this band is to simulate the VCD spectrum using quantum chemical methods. This way, you can easily assess the nature of the vibrational transition associated with this specific band and get more information about the actual factor involved.
I Hope it helps.
Best regards
Thank you for your reply Sir. Actually, the band I mentioned is not an artifact or due to any impurity in the sample. This is because the band can be prominently observed in the IR absorption spectrum and the IR absorption spectrum of the compound is well studied in the literature. I have also done quantum mechanical calculation which also shows the presence of this band in the VCD spectrum. However, in the experimental VCD spectrum the position of the band is same but the sign is not consistent ,i. e. , at times it appears positive and at times negative.
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